#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry s SER 2 N 0.00 4.58 0.00 1.61 1.04 -1.26 -4.93 113.70 114.74 1qry s SER 2 Ca 0.00 -2.50 0.00 0.00 0.48 0.00 0.00 55.95 53.93 1qry s SER 2 Cb 0.00 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1qry s SER 2 CO 0.00 -0.32 0.00 1.41 0.98 0.00 0.00 173.24 175.31 1qry n HIS 3 N 3.79 0.00 0.00 5.02 -0.00 -1.26 -5.11 115.22 117.66 1qry n HIS 3 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1qry n HIS 3 Cb 0.38 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 1qry n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1qry n MET 4 N -1.45 0.00 -4.00 -0.41 0.00 -1.26 -5.13 117.12 104.87 1qry n MET 4 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.62 1qry n MET 4 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 1qry n MET 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1qry s SER 5 N -1.00 0.31 -0.38 7.83 0.01 -1.26 -5.12 113.70 114.09 1qry s SER 5 Ca 0.00 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.58 1qry s SER 5 Cb 0.00 0.20 0.17 0.00 0.21 0.00 0.00 66.02 66.60 1qry s SER 5 CO 0.00 -0.53 0.48 -1.81 0.41 0.00 0.00 173.24 171.79 1qry s ASP 6 N -2.40 0.00 0.00 2.44 1.01 -1.26 -4.95 116.67 111.52 1qry s ASP 6 Ca -0.01 -1.15 0.00 0.00 0.71 0.00 0.00 52.55 52.09 1qry s ASP 6 Cb 0.02 1.17 0.00 0.00 1.01 0.00 0.00 42.92 45.12 1qry s ASP 6 CO -0.07 -0.23 0.01 0.61 0.21 0.00 0.00 175.17 175.70 1qry n GLY 7 N 4.41 0.93 2.42 0.21 0.00 -1.26 -5.06 105.19 106.84 1qry n GLY 7 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1qry n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qry n LEU 8 N 0.00 -0.62 -0.00 0.99 4.32 -1.26 -4.85 117.00 115.58 1qry n LEU 8 Ca 0.00 -0.19 -0.01 0.00 -0.02 0.00 0.00 56.01 55.79 1qry n LEU 8 Cb 0.32 -0.48 -0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1qry n LEU 8 CO 0.00 0.07 0.04 1.55 -1.22 0.00 0.00 177.39 177.84 1qry h PRO 9 N 0.62 -0.05 -0.97 3.23 0.13 -2.02 -3.37 132.00 129.57 1qry h PRO 9 Ca -0.19 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.29 1qry h PRO 9 Cb 0.42 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 31.26 1qry h PRO 9 CO 0.09 -0.03 0.67 0.27 -0.23 0.00 0.00 178.00 178.77 1qry n ASN 10 N -3.26 7.28 -2.56 1.44 0.23 -1.26 -4.97 115.26 112.16 1qry n ASN 10 Ca -0.01 -3.78 -0.04 0.00 -0.53 0.00 0.00 54.58 50.23 1qry n ASN 10 Cb 0.02 -0.90 -0.03 0.00 -2.08 0.00 0.00 39.78 36.79 1qry n ASN 10 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1qry n LYS 11 N -0.90 -4.32 -1.64 -3.83 4.76 -1.26 -4.72 118.16 106.24 1qry n LYS 11 Ca 0.61 3.23 -0.50 0.00 -2.87 0.00 0.00 58.31 58.78 1qry n LYS 11 Cb 0.72 -4.43 -0.05 0.00 -1.84 0.00 0.00 35.03 29.43 1qry n LYS 11 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1qry n LYS 12 N 1.85 1.62 -1.55 1.97 4.81 -1.26 -4.84 118.16 120.76 1qry n LYS 12 Ca -0.26 0.59 -0.32 0.00 -0.87 0.00 0.00 58.31 57.44 1qry n LYS 12 Cb 0.40 -2.30 0.02 0.00 0.02 0.00 0.00 35.03 33.17 1qry n LYS 12 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qry n ARG 13 N 3.60 2.52 -1.65 1.64 1.74 -1.26 -4.75 116.66 118.50 1qry n ARG 13 Ca 0.19 -2.88 -0.19 0.00 -0.77 0.00 0.00 57.85 54.20 1qry n ARG 13 Cb 0.23 -2.15 -0.07 0.00 -1.02 0.00 0.00 32.46 29.44 1qry n ARG 13 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qry n LYS 14 N -0.08 -1.46 0.00 5.56 5.02 -1.26 -4.81 118.16 121.13 1qry n LYS 14 Ca 0.51 1.10 0.00 0.00 -2.02 0.00 0.00 58.31 57.90 1qry n LYS 14 Cb 0.45 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 1qry n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qry n ARG 15 N -2.34 0.00 -4.00 1.97 1.74 -1.26 -5.16 116.66 107.61 1qry n ARG 15 Ca -0.19 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.57 1qry n ARG 15 Cb 0.63 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.01 1qry n ARG 15 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1qry s ARG 16 N 0.00 3.19 -0.20 5.56 3.52 -1.26 -5.05 118.95 124.71 1qry s ARG 16 Ca 0.00 -0.50 -0.27 0.00 -0.13 0.00 0.00 55.73 54.83 1qry s ARG 16 Cb 0.00 -2.92 0.09 0.00 -1.56 0.00 0.00 34.95 30.57 1qry s ARG 16 CO 0.00 0.62 0.83 0.08 -0.81 0.00 0.00 175.30 176.02 1qry s VAL 17 N -1.36 0.00 0.00 7.11 1.01 -1.26 -5.14 120.40 120.76 1qry s VAL 17 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1qry s VAL 17 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1qry s VAL 17 CO 0.21 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.49 1qry n LEU 18 N 1.80 0.00 -3.67 3.92 4.77 -1.26 -5.16 117.00 117.40 1qry n LEU 18 Ca -0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.74 1qry n LEU 18 Cb 0.56 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 1qry n LEU 18 CO 0.10 0.00 0.21 -0.36 -1.33 0.00 0.00 177.39 176.01 1qry s PHE 19 N 3.85 -0.16 0.11 -1.77 0.08 -1.26 -5.10 117.98 113.74 1qry s PHE 19 Ca 0.00 -0.16 -0.31 0.00 0.12 0.00 0.00 56.93 56.58 1qry s PHE 19 Cb 0.00 0.31 -0.10 0.00 -0.57 0.00 0.00 43.02 42.66 1qry s PHE 19 CO 0.00 -0.79 1.75 0.95 -0.10 0.00 0.00 175.22 177.03 1qry s THR 20 N -3.83 2.66 -0.21 0.64 -4.23 -1.26 -4.72 115.64 104.69 1qry s THR 20 Ca 0.06 0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1qry s THR 20 Cb 0.01 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.73 1qry s THR 20 CO -0.08 0.00 0.77 0.29 -0.54 0.00 0.00 174.62 175.06 1qry n LYS 21 N 5.41 0.01 -0.02 3.99 5.02 -1.26 0.84 118.16 132.16 1qry n LYS 21 Ca 0.17 0.26 -0.07 0.00 -2.02 0.00 0.00 58.31 56.65 1qry n LYS 21 Cb 0.39 -1.92 -0.06 0.00 -0.02 0.00 0.00 35.03 33.42 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qry h ALA 22 N 0.68 -0.09 -3.00 7.82 0.00 -1.98 -2.71 119.26 119.98 1qry h ALA 22 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qry h ALA 22 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1qry h ALA 22 CO 0.00 -0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.19 1qry n GLN 23 N -4.79 0.00 -0.36 0.00 6.02 0.25 0.08 117.38 118.58 1qry n GLN 23 Ca -0.05 0.07 0.28 0.00 -0.01 0.00 0.00 57.00 57.29 1qry n GLN 23 Cb 0.22 -0.88 0.43 0.00 1.02 0.00 0.00 30.24 31.02 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qry n THR 24 N -0.46 0.00 0.04 5.09 -1.04 -1.12 0.15 114.28 116.95 1qry n THR 24 Ca 0.00 0.80 -0.03 0.00 -2.04 0.00 0.00 64.05 62.78 1qry n THR 24 Cb 0.00 -1.35 -0.01 0.00 -1.82 0.00 0.00 70.33 67.15 1qry n THR 24 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1qry h TYR 25 N 0.00 -0.17 0.44 -1.42 3.20 -0.94 -0.81 116.97 117.27 1qry h TYR 25 Ca 0.49 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.34 1qry h TYR 25 Cb 2.02 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 40.34 1qry h TYR 25 CO 0.00 -0.11 -0.31 0.93 -1.64 0.00 0.00 178.16 177.04 1qry h GLU 26 N -0.82 -0.70 -1.18 1.82 4.39 0.54 1.37 114.58 120.00 1qry h GLU 26 Ca -0.02 0.05 0.34 0.00 0.34 0.00 0.00 59.36 60.07 1qry h GLU 26 Cb 0.14 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1qry h GLU 26 CO 0.03 -0.47 1.01 1.25 -1.16 0.00 0.00 179.01 179.68 1qry h LEU 27 N -0.73 0.00 0.00 1.33 5.85 0.10 0.66 115.31 122.52 1qry h LEU 27 Ca -0.04 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 1qry h LEU 27 Cb 0.61 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1qry h LEU 27 CO 0.02 0.00 -0.92 -0.33 -0.34 0.00 0.00 178.44 176.87 1qry h GLU 28 N 0.00 0.00 -1.07 1.25 4.39 0.11 -3.31 114.58 115.95 1qry h GLU 28 Ca 0.56 -0.00 0.35 0.00 0.34 0.00 0.00 59.36 60.61 1qry h GLU 28 Cb 2.58 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 31.09 1qry h GLU 28 CO -0.01 1.00 0.63 0.00 -1.16 0.00 0.00 179.01 179.48 1qry h ARG 29 N -1.00 0.25 -0.22 2.33 3.08 0.72 3.91 114.38 123.46 1qry h ARG 29 Ca -0.25 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1qry h ARG 29 Cb 1.22 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1qry h ARG 29 CO -0.15 0.17 0.12 -0.09 -1.07 0.00 0.00 179.97 178.94 1qry h ARG 30 N 0.26 0.29 -0.24 0.04 1.12 -0.78 -0.59 114.38 114.48 1qry h ARG 30 Ca 0.75 -0.02 0.07 0.00 -1.11 0.00 0.00 59.98 59.66 1qry h ARG 30 Cb 1.88 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.77 1qry h ARG 30 CO -0.55 0.22 0.24 0.35 -3.11 0.00 0.00 179.97 177.12 1qry h PHE 31 N 0.30 0.00 0.00 2.20 3.04 0.74 -1.01 116.94 122.22 1qry h PHE 31 Ca 0.08 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1qry h PHE 31 Cb 0.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1qry h PHE 31 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 178.31 176.83 1qry n ARG 32 N -3.95 0.00 -0.31 1.11 3.00 -0.23 -3.25 116.66 113.03 1qry n ARG 32 Ca 0.03 0.17 0.35 0.00 -0.01 0.00 0.00 57.85 58.39 1qry n ARG 32 Cb 0.38 -0.91 0.73 0.00 0.00 0.00 0.00 32.46 32.65 1qry n ARG 32 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1qry h GLN 33 N 0.00 0.00 -4.89 5.56 1.08 -1.66 -3.28 115.11 111.92 1qry h GLN 33 Ca 0.00 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.53 1qry h GLN 33 Cb 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.07 1qry h GLN 33 CO 0.00 0.00 -0.80 -0.65 -0.95 0.00 0.00 178.83 176.43 1qry s GLN 34 N -4.84 2.39 0.40 1.46 1.11 -0.39 -4.97 119.66 114.82 1qry s GLN 34 Ca -0.05 -1.25 0.16 0.00 0.01 0.00 0.00 55.36 54.23 1qry s GLN 34 Cb 0.22 -2.87 1.04 0.00 -1.01 0.00 0.00 33.01 30.38 1qry s GLN 34 CO 0.75 -0.52 1.84 0.07 0.01 0.00 0.00 175.29 177.44 1qry h ARG 35 N 7.82 0.44 -0.46 2.91 0.11 -1.62 -3.24 114.38 120.34 1qry h ARG 35 Ca -0.24 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.53 1qry h ARG 35 Cb 1.06 -0.10 -0.23 0.00 1.11 0.00 0.00 29.97 31.81 1qry h ARG 35 CO 0.50 0.29 -0.66 2.48 0.10 0.00 0.00 179.97 182.68 1qry n TYR 36 N -4.54 -1.51 0.00 4.08 0.18 -1.26 -4.92 117.16 109.19 1qry n TYR 36 Ca 0.20 -2.40 0.00 0.00 1.88 0.00 0.00 57.90 57.58 1qry n TYR 36 Cb 0.69 0.95 0.00 0.00 -0.38 0.00 0.00 39.34 40.61 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1qry n LEU 37 N -0.12 0.00 0.00 -3.48 4.32 -1.22 -4.89 117.00 111.61 1qry n LEU 37 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1qry n LEU 37 Cb 0.78 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1qry n LEU 37 CO 0.06 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.03 1qry n SER 38 N -0.09 0.00 -0.35 -1.43 7.64 -1.26 -4.70 113.62 113.42 1qry n SER 38 Ca 0.00 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.15 1qry n SER 38 Cb 0.00 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry n ALA 39 N -0.76 0.94 0.14 -0.43 0.00 -1.26 0.45 120.51 119.59 1qry n ALA 39 Ca 0.00 0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.88 1qry n ALA 39 Cb 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 1qry n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qry n PRO 40 N -2.97 0.57 0.02 0.00 -0.04 -1.26 -3.93 135.00 127.38 1qry n PRO 40 Ca 0.22 -0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1qry n PRO 40 Cb 1.00 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 1qry n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qry h GLU 41 N 0.00 0.13 0.00 0.54 3.07 0.94 -3.28 114.58 115.99 1qry h GLU 41 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1qry h GLU 41 Cb 0.94 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1qry h GLU 41 CO 0.00 0.88 0.00 0.07 -1.40 0.00 0.00 179.01 178.56 1qry h ARG 42 N 0.04 0.00 0.00 2.33 0.11 -1.21 0.67 114.38 116.31 1qry h ARG 42 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1qry h ARG 42 Cb 2.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.08 1qry h ARG 42 CO 0.11 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.57 1qry n GLU 43 N -2.98 0.20 -0.08 0.08 -0.58 -1.23 0.18 120.64 116.22 1qry n GLU 43 Ca 0.00 0.44 -0.14 0.00 -0.42 0.00 0.00 57.16 57.03 1qry n GLU 43 Cb 0.25 -1.89 -0.12 0.00 -0.57 0.00 0.00 31.44 29.12 1qry n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1qry h HIS 44 N 0.00 0.00 -0.06 -0.32 2.76 -1.04 -3.32 115.15 113.17 1qry h HIS 44 Ca 0.00 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1qry h HIS 44 Cb 0.35 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.25 1qry h HIS 44 CO 0.00 1.01 -0.50 1.25 -1.30 0.00 0.00 177.93 178.39 1qry h LEU 45 N -1.00 -1.56 0.00 0.26 7.12 -1.26 0.34 115.31 119.21 1qry h LEU 45 Ca -0.07 0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1qry h LEU 45 Cb 0.98 0.61 0.00 0.00 -0.53 0.00 0.00 40.66 41.72 1qry h LEU 45 CO -0.05 -0.49 0.75 0.35 -0.13 0.00 0.00 178.44 178.88 1qry n THR 46 N -5.45 0.00 -0.09 1.05 -2.24 0.13 0.39 114.28 108.07 1qry n THR 46 Ca -0.06 0.75 -0.18 0.00 -2.27 0.00 0.00 64.05 62.29 1qry n THR 46 Cb 0.38 -1.54 -0.11 0.00 -2.10 0.00 0.00 70.33 66.97 1qry n THR 46 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qry h SER 47 N 0.00 0.00 0.00 3.42 4.64 -0.41 -3.14 113.55 118.06 1qry h SER 47 Ca 0.00 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1qry h SER 47 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1qry h SER 47 CO 0.00 1.28 0.00 0.18 -0.87 0.00 0.00 176.83 177.42 1qry n LEU 48 N -4.50 0.00 -2.18 5.97 4.32 1.27 -3.87 117.00 118.01 1qry n LEU 48 Ca -0.24 0.03 -0.22 0.00 -0.02 0.00 0.00 56.01 55.56 1qry n LEU 48 Cb 0.58 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.56 1qry n LEU 48 CO 0.21 0.00 1.26 2.30 -1.22 0.00 0.00 177.39 179.94 1qry n ILE 49 N -0.05 3.17 -1.95 -0.08 -0.00 -1.14 -4.91 119.36 114.41 1qry n ILE 49 Ca 0.00 -1.95 -0.08 0.00 -0.00 0.00 0.00 62.75 60.73 1qry n ILE 49 Cb 0.00 -0.46 -0.01 0.00 -0.00 0.00 0.00 39.64 39.17 1qry n ILE 49 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1qry n ARG 50 N -1.11 -1.38 -0.17 6.28 1.74 -1.19 -4.57 116.66 116.25 1qry n ARG 50 Ca 0.58 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1qry n ARG 50 Cb 1.64 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qry n LEU 51 N -1.43 2.28 -0.99 0.55 4.77 -1.26 -4.85 117.00 116.07 1qry n LEU 51 Ca 0.02 -1.05 0.05 0.00 -0.03 0.00 0.00 56.01 55.00 1qry n LEU 51 Cb 0.19 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1qry n LEU 51 CO 0.18 0.42 -0.24 0.35 -1.33 0.00 0.00 177.39 176.77 1qry n THR 52 N 1.47 -0.61 0.00 -5.08 -2.24 -1.26 -2.37 114.28 104.18 1qry n THR 52 Ca 0.00 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1qry n THR 52 Cb 0.24 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1qry n THR 52 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1qry n PRO 53 N -3.18 0.00 -0.33 -0.78 -0.02 -1.26 -1.33 135.00 128.10 1qry n PRO 53 Ca -0.03 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1qry n PRO 53 Cb 0.25 -0.52 0.07 0.00 -0.02 0.00 0.00 33.50 33.28 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1qry n THR 54 N -0.29 -0.42 -0.17 3.45 -1.04 -1.26 0.12 114.28 114.66 1qry n THR 54 Ca 0.00 2.02 -0.11 0.00 -2.04 0.00 0.00 64.05 63.92 1qry n THR 54 Cb 0.00 -2.71 -0.08 0.00 -1.82 0.00 0.00 70.33 65.72 1qry n THR 54 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1qry h GLN 55 N 0.00 -0.24 -0.58 -2.82 5.75 -1.77 0.38 115.11 115.83 1qry h GLN 55 Ca 0.34 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.95 1qry h GLN 55 Cb 0.56 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 29.06 1qry h GLN 55 CO -0.87 -0.16 -0.43 0.28 -2.65 0.00 0.00 178.83 174.99 1qry h VAL 56 N -0.25 0.09 -0.76 2.39 2.07 0.22 0.30 116.25 120.31 1qry h VAL 56 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 1qry h VAL 56 Cb 0.45 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1qry h VAL 56 CO -0.56 0.00 0.35 0.50 0.02 0.00 0.00 177.57 177.88 1qry h LYS 57 N -0.23 0.52 -0.61 1.57 3.64 0.33 -1.01 116.57 120.78 1qry h LYS 57 Ca 0.18 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1qry h LYS 57 Cb 0.56 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1qry h LYS 57 CO -0.69 0.34 -0.00 0.82 -2.27 0.00 0.00 179.45 177.65 1qry h ILE 58 N 0.54 1.27 -1.00 2.00 1.08 0.29 -2.89 117.51 118.79 1qry h ILE 58 Ca 0.40 -1.16 0.07 0.00 -0.39 0.00 0.00 64.86 63.77 1qry h ILE 58 Cb 0.54 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 1qry h ILE 58 CO -0.35 0.42 0.65 -0.25 -0.69 0.00 0.00 178.15 177.93 1qry h TRP 59 N 0.98 1.19 0.89 1.37 7.01 0.76 -2.84 115.95 125.32 1qry h TRP 59 Ca 0.17 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.16 1qry h TRP 59 Cb 0.57 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1qry h TRP 59 CO 0.04 0.62 -0.49 0.74 -2.79 0.00 0.00 178.44 176.56 1qry h PHE 60 N 1.17 -1.30 -0.89 2.65 -1.00 -1.23 -2.19 116.94 114.15 1qry h PHE 60 Ca 0.43 -0.02 0.32 0.00 2.81 0.00 0.00 57.97 61.51 1qry h PHE 60 Cb 0.17 0.45 -0.16 0.00 3.61 0.00 0.00 35.95 40.02 1qry h PHE 60 CO -0.00 -0.76 0.27 0.94 -1.61 0.00 0.00 178.31 177.15 1qry n GLN 61 N -5.65 -0.06 -0.12 1.51 7.27 -1.08 0.17 117.38 119.42 1qry n GLN 61 Ca -0.16 1.28 -0.09 0.00 0.07 0.00 0.00 57.00 58.10 1qry n GLN 61 Cb 0.52 -2.18 -0.01 0.00 2.41 0.00 0.00 30.24 30.98 1qry n GLN 61 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1qry h ASN 62 N 0.00 0.49 0.05 1.69 -1.24 -1.31 -3.15 115.58 112.11 1qry h ASN 62 Ca 0.66 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.53 1qry h ASN 62 Cb 1.61 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.54 1qry h ASN 62 CO -0.76 0.49 -0.02 0.45 -1.29 0.00 0.00 177.43 176.31 1qry h HIS 63 N 0.44 -0.06 -0.63 0.67 3.86 0.22 -2.95 115.15 116.72 1qry h HIS 63 Ca 0.12 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.43 1qry h HIS 63 Cb 0.15 0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.53 1qry h HIS 63 CO -0.01 0.54 -0.24 -2.13 0.86 0.00 0.00 177.93 176.95 1qry n ARG 64 N -4.81 -0.14 -0.10 2.45 3.00 0.15 0.40 116.66 117.61 1qry n ARG 64 Ca -0.09 0.96 -0.13 0.00 -0.00 0.00 0.00 57.85 58.60 1qry n ARG 64 Cb 0.31 -1.43 -0.04 0.00 0.00 0.00 0.00 32.46 31.30 1qry n ARG 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1qry h TYR 65 N 0.00 0.80 0.12 -0.14 3.20 -1.61 -3.29 116.97 116.05 1qry h TYR 65 Ca 0.22 -0.22 -0.21 0.00 3.14 0.00 0.00 58.73 61.67 1qry h TYR 65 Cb 0.38 -0.18 0.02 0.00 1.54 0.00 0.00 36.73 38.49 1qry h TYR 65 CO -0.55 0.94 -0.89 -0.22 -1.64 0.00 0.00 178.16 175.81 1qry h LYS 66 N 0.44 0.38 0.00 1.82 3.11 0.16 -3.12 116.57 119.37 1qry h LYS 66 Ca 0.06 -0.58 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 1qry h LYS 66 Cb 0.76 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1qry h LYS 66 CO 0.06 1.25 0.57 0.25 -2.81 0.00 0.00 179.45 178.77 1qry n THR 67 N -4.07 0.23 0.04 1.00 -2.24 1.33 0.32 114.28 110.90 1qry n THR 67 Ca -0.13 0.71 -0.19 0.00 -2.27 0.00 0.00 64.05 62.16 1qry n THR 67 Cb 0.84 -1.71 -0.14 0.00 -2.10 0.00 0.00 70.33 67.22 1qry n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qry h LYS 68 N 0.00 0.26 0.00 -0.78 1.57 -1.61 -3.21 116.57 112.80 1qry h LYS 68 Ca 0.00 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 1qry h LYS 68 Cb 1.14 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1qry h LYS 68 CO 0.00 1.12 -0.37 0.00 -0.57 0.00 0.00 179.45 179.63 1qry h ARG 69 N 0.07 0.00 -0.25 3.15 3.08 0.52 -2.99 114.38 117.96 1qry h ARG 69 Ca -0.33 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.53 1qry h ARG 69 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.10 1qry h ARG 69 CO 0.13 0.37 -0.59 0.00 -1.07 0.00 0.00 179.97 178.82 1qry h ALA 70 N 1.63 0.41 -0.10 0.04 0.00 -1.38 -2.92 119.26 116.93 1qry h ALA 70 Ca -0.00 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1qry h ALA 70 Cb 0.86 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1qry h ALA 70 CO 0.05 0.65 0.08 1.96 0.00 0.00 0.00 179.25 181.99 1qry h GLN 71 N 0.60 0.00 -0.66 0.00 4.20 -1.52 -1.07 115.11 116.66 1qry h GLN 71 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1qry h GLN 71 Cb 1.21 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1qry h GLN 71 CO 0.13 0.00 0.09 -0.97 -0.67 0.00 0.00 178.83 177.41 1qry h ASN 72 N 0.00 1.05 -0.32 1.46 -0.73 -1.51 -0.76 115.58 114.78 1qry h ASN 72 Ca 0.05 -0.26 -0.13 0.00 1.87 0.00 0.00 56.30 57.82 1qry h ASN 72 Cb 0.20 -0.28 -0.08 0.00 0.27 0.00 0.00 38.32 38.43 1qry h ASN 72 CO -0.00 1.05 0.17 -0.62 -0.37 0.00 0.00 177.43 177.66 1qry n GLU 73 N -4.21 1.76 -2.52 6.67 1.02 -0.42 -3.71 120.64 119.22 1qry n GLU 73 Ca 0.04 -1.13 -0.00 0.00 -0.02 0.00 0.00 57.16 56.05 1qry n GLU 73 Cb 0.30 -1.54 0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1qry n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qry n LYS 74 N -0.01 1.32 -1.38 3.49 5.02 -0.29 -5.07 118.16 121.25 1qry n LYS 74 Ca 0.19 -2.73 -0.29 0.00 -2.02 0.00 0.00 58.31 53.45 1qry n LYS 74 Cb 0.84 -0.89 0.18 0.00 -0.02 0.00 0.00 35.03 35.14 1qry n LYS 74 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1qry s GLY 75 N -2.90 1.60 -0.96 0.72 0.00 -1.20 -4.72 107.32 99.86 1qry s GLY 75 Ca 0.23 -0.68 -0.22 0.00 0.00 0.00 0.00 44.72 44.05 1qry s GLY 75 CO -0.07 0.00 2.45 -1.72 0.00 0.00 0.00 173.10 173.76 1qry n TYR 76 N -4.13 0.43 0.00 1.90 4.01 -1.26 -4.77 117.16 113.34 1qry n TYR 76 Ca 0.09 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1qry n TYR 76 Cb 0.59 -1.67 0.00 0.00 -0.31 0.00 0.00 39.34 37.95 1qry n TYR 76 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1qry n GLU 77 N 7.38 0.00 -2.12 -0.72 0.00 -1.26 -4.82 120.64 119.09 1qry n GLU 77 Ca 0.64 0.18 -0.27 0.00 0.00 0.00 0.00 57.16 57.71 1qry n GLU 77 Cb 0.13 -0.86 0.10 0.00 0.00 0.00 0.00 31.44 30.80 1qry n GLU 77 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1qry s GLY 78 N -0.99 1.69 0.00 8.31 0.00 -1.26 -4.66 107.32 110.41 1qry s GLY 78 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.72 1qry s GLY 78 CO 0.00 -0.49 0.00 1.42 0.00 0.00 0.00 173.10 174.03 1qry n HIS 79 N -3.17 0.00 1.39 1.90 8.25 -1.26 -5.21 115.22 117.13 1qry n HIS 79 Ca 0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.67 1qry n HIS 79 Cb 0.60 -0.96 0.66 0.00 1.12 0.00 0.00 29.99 31.41 1qry n HIS 79 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68